element(s):
['Br']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7191']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.7191, 0, 0], [0, 4.7191, 0], [0, 0, 4.7191]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:05:01      -14.089058         6.751929
BFGS:    1 15:05:01      -15.142046         7.294977
BFGS:    2 15:05:01      -16.279735         7.881690
BFGS:    3 15:05:01      -17.516160         8.614276
BFGS:    4 15:05:01      -18.859482         9.305082
BFGS:    5 15:05:01      -20.310247        10.047116
BFGS:    6 15:05:01      -21.876241        10.841604
BFGS:    7 15:05:01      -23.565364        11.688762
BFGS:    8 15:05:01      -25.386411        12.600712
BFGS:    9 15:05:01      -27.347052        13.548810
BFGS:   10 15:05:01      -29.453167        14.539043
BFGS:   11 15:05:01      -31.710377        15.561321
BFGS:   12 15:05:01      -34.126708        16.684155
BFGS:   13 15:05:01      -36.707706        17.725910
BFGS:   14 15:05:01      -39.442611        18.729828
BFGS:   15 15:05:01      -42.322493        19.649935
BFGS:   16 15:05:01      -45.337758        20.484624
BFGS:   17 15:05:01      -48.454819        21.028053
BFGS:   18 15:05:01      -51.628437        21.215304
BFGS:   19 15:05:01      -54.801178        20.946981
BFGS:   20 15:05:01      -57.873857        19.875395
BFGS:   21 15:05:01      -60.713307        17.818110
BFGS:   22 15:05:01      -63.139198        14.241821
BFGS:   23 15:05:01      -64.884992         8.641664
BFGS:   24 15:05:01      -65.619601         0.471444
BFGS:   25 15:05:01      -65.621148         0.116107
BFGS:   26 15:05:01      -65.621246         0.001012
BFGS:   27 15:05:01      -65.621246         0.000002
BFGS:   28 15:05:01      -65.621246         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0901012432887535e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.07301983e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.3006329995721195, -9.275910218884623e-33, -5.264312624941842e-34], [-7.607793776531776e-33, 3.3006329995721195, 5.159718006267493e-18], [3.276864278400628e-33, 5.159718006267487e-18, 3.3006329995721186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.09010124e-12 -3.09010124e-12 -3.09010124e-12 -3.03597440e-28
 -1.90225241e-60 -1.07425682e-60]
energy per atom =  -16.40531157933443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0